按“信号通路”分类 - 小分子和化合物库 | 纯度: ≥95%(LC/MS-ELSD), ≥70%(TLC), ≥99 atom% 13C,≥99%

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芍药内酯苷
- ≥95%(LC/MS-ELSD)
CAS号 : 39011-90-0 Compound CID : 24868421

分子式: C₂₃H₂₈O₁₁ 分子量: 480.46

IUPAC Name: [(1R,3R,4R,6S,9S)-4-hydroxy-6-methyl-8-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate

SMILES: CC12CC(C3CC1(C3(C(=O)O2)COC(=O)C4=CC=CC=C4)OC5C(C(C(C(O5)CO)O)O)O)O

InChIKey: QQUHMASGPODSIW-ICECTASOSA-N

InChI: InChI=1S/C23H28O11/c1-21-8-13(25)12-7-23(21,33-19-17(28)16(27)15(26)14(9-24)32-19)22(12,20(30)34-21)10-31-18(29)11-5-3-2-4-6-11/h2-6,12-17,19,24-28H,7-10H2,1H3/t12-,13+,14+,15+,16-,17+,19-,21-,22-,23-/m0/s1
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1,2-二嘧磺酰-sn-甘油-3-磷酸-L-丝氨酸钠盐
- ≥70%(TLC)
CAS号 : 105405-50-3 Compound CID : 46891788

分子式: C₃₄H₆₅NO₁₀PNa 分子量: 701.844

IUPAC Name: sodium;(2S)-2-azaniumyl-3-[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-oxidophosphoryl]oxypropanoate

SMILES: CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCCCCCCCC.[Na+]

InChIKey: QSHQBWBFNCFHLO-MFABWLECSA-M

InChI: InChI=1S/C34H66NO10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(36)42-27-30(28-43-46(40,41)44-29-31(35)34(38)39)45-33(37)26-24-22-20-18-16-14-12-10-8-6-4-2;/h30-31H,3-29,35H2,1-2H3,(H,38,39)(H,40,41);/q;+1/p-1/t30-,31+;/m1./s1
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10-异butyryl氧基-8,9-环氧thymol 异丁酸
- ≥95%(LC/MS-ELSD)
CAS号 : 22518-06-5

分子式: C₁₈H₂₄O₅ 分子量: 320.38

IUPAC Name: [2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl 2-methylpropanoate

SMILES: CC1=CC(=C(C=C1)C2(CO2)COC(=O)C(C)C)OC(=O)C(C)C

InChIKey: OLARKEMZPWGFJU-UHFFFAOYSA-N

InChI: InChI=1S/C18H24O5/c1-11(2)16(19)21-9-18(10-22-18)14-7-6-13(5)8-15(14)23-17(20)12(3)4/h6-8,11-12H,9-10H2,1-5H3
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12-甲氧基鼠尾草酸
- ≥95%(LC/MS-ELSD)
CAS号 : 62201-71-2

分子式: C₂₁H₃₀O₄ 分子量: 346.46

IUPAC Name: (4aR,10aS)-5-hydroxy-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid

SMILES: CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)OC

InChIKey: QQNSARJGBPMQDI-YCRPNKLZSA-N

InChI: InChI=1S/C21H30O4/c1-12(2)14-11-13-7-8-15-20(3,4)9-6-10-21(15,19(23)24)16(13)17(22)18(14)25-5/h11-12,15,22H,6-10H2,1-5H3,(H,23,24)/t15-,21+/m0/s1
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23-羟基tormentic酸
- ≥95%(LC/MS-ELSD)
CAS号 : 70868-78-9 Compound CID : 490367

分子式: C₃₀H₄₈O₆ 分子量: 504.7

IUPAC Name: (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1(C)O)C)C(=O)O

InChIKey: YCOKATFNRPZIIU-NIZSJLHKSA-N

InChI: InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1
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D-果糖-1-¹³C
- ≥99 atom% 13C,≥99%
CAS号 : 108311-21-3

分子式: 13CC₅H₁₂O₆ 分子量: 181.15
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D-甘露糖-1-¹³C
- ≥99 atom% 13C,≥99%
CAS号 : 70849-31-9 Compound CID : 12285886

分子式: 13CC₅H₁₂O₆ 分子量: 181.15

IUPAC Name: (3S,4S,5S,6R)-6-(hydroxymethyl)(213C)oxane-2,3,4,5-tetrol

SMILES: C(C1C(C(C(C(O1)O)O)O)O)O

InChIKey: WQZGKKKJIJFFOK-YILIOCFTSA-N

InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1/i6+1
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L-脯氨酸-¹³C₅
- ≥99 atom% 13C,≥99%
CAS号 : 201740-83-2 Compound CID : 71309553

分子式: C₅H₉NO₂ 分子量: 120.09

IUPAC Name: (2S)-(2,3,4,5-13C4)azolidine-2-carboxylic acid

SMILES: C1CC(NC1)C(=O)O

InChIKey: ONIBWKKTOPOVIA-JRGPAWSWSA-N

InChI: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1
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L-酪氨酸-(苯基-¹³C₆)
- ≥99 atom% 13C,≥99%
CAS号 : 201595-63-3 Compound CID : 12144755

分子式: 4-(HO)13C₆H₄CH₂CH(NH₂)CO₂H 分子量: 187.14

IUPAC Name: (2S)-2-amino-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)propanoic acid

SMILES: C1=CC(=CC=C1CC(C(=O)O)N)O

InChIKey: OUYCCCASQSFEME-HXCZJXEJSA-N

InChI: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/i1+1,2+1,3+1,4+1,6+1,7+1
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丙酮酸（1-¹³C）
- ≥99 atom% 13C,≥99%
CAS号 : 99124-30-8

分子式: CH₃CO13CO₂H 分子量: 89.05

IUPAC Name: 2-oxo(113C)propanoic acid

SMILES: CC(=O)[13C](O)=O

InChIKey: LCTONWCANYUPML-LBPDFUHNSA-N

InChI: InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/i3+1
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鸡蛋花甙
- ≥95%(LC/MS-ELSD)
CAS号 : 511-89-7 Compound CID : 72319

分子式: C₂₁H₂₆O₁₂ 分子量: 470.42

IUPAC Name: methyl (1S,4aS,7R,7aS)-4'-[(1S)-1-hydroxyethyl]-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate

SMILES: CC(C1=CC2(C=CC3C2C(OC=C3C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)OC1=O)O

InChIKey: AOPMSFXOYJXDNJ-IRFSQMTFSA-N

InChI: InChI=1S/C21H26O12/c1-8(23)10-5-21(33-18(10)28)4-3-9-11(17(27)29-2)7-30-19(13(9)21)32-20-16(26)15(25)14(24)12(6-22)31-20/h3-5,7-9,12-16,19-20,22-26H,6H2,1-2H3/t8-,9+,12+,13+,14+,15-,16+,19-,20-,21+/m0/s1
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冬青皂甙A1
- ≥95%(LC/MS-ELSD)
CAS号 : 108524-93-2 Compound CID : 72163175

分子式: C₃₆H₅₆O₁₁ 分子量: 664.82

IUPAC Name: (3S,4R,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid

SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)C2C1(C)O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O

InChIKey: AWFZJSUJFSUBQU-MOJLLMCOSA-N

InChI: InChI=1S/C36H56O11/c1-18-9-14-36(30(44)47-28-26(41)25(40)24(39)20(17-37)46-28)16-15-32(3)19(27(36)35(18,6)45)7-8-21-31(2)12-11-23(38)34(5,29(42)43)22(31)10-13-33(21,32)4/h7,18,20-28,37-41,45H,8-17H2,1-6H3,(H,42,43)/t18-,20-,21-,22-,23+,24-,25+,26-,27-,28+,31-,32-,33-,34-,35-,36+/m1/s1
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